6QK1
R2-like ligand-binding oxidase Y175F mutant with aerobically reconstituted Mn/Fe cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 55.868, 97.304, 129.112 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.854 - 1.754 |
R-factor | 0.1813 |
Rwork | 0.179 |
R-free | 0.22070 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4hr0 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.086 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.035 | 0.760 |
Rmeas | 0.040 | 0.876 |
Number of reflections | 35227 | 5598 |
<I/σ(I)> | 19.9 | 1.74 |
Completeness [%] | 98.7 | 98.2 |
Redundancy | 4.1 | 4 |
CC(1/2) | 0.999 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | 27.5% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.4 |